|
|
FUR-192 / DiMeF(13,3) / 15,16-Dimethyl-14,17-epoxyeicosa-14,16-dienoic acid ME |
Names: 13-(3,4-dimethyl-5-propylfuran-2-yl)tridecanoic acid methyl ester; 13-(3,4-Dimethyl-5-propyl-2-furyl)tridecanoic acid methyl ester; 15,16-Dimethyl-14,17-epoxyeicosa-14,16-dienoic acid methyl ester; 14,17-Epoxy-15,16-dimethyleicosa-14,16-dienoic acid methyl ester
Formula: C23H40O3
Molar mass: 364.567 Da
Monoisotopic mass: 364.298 Da
SMILES: CCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(OC)=O)O1
InChI Key: RILSOXJKSAPZBE-UHFFFAOYSA-N
InChI: 1S/C23H40O3/c1-5-16-21-19(2)20(3)22(26-21)17-14-12-10-8-6-7-9-11-13-15-18-23(24)25-4/h5-18H2,1-4H3
Typical retention indexes:
- ECL on BPX70: 23.980
- ECL on Wax: 23.629
Names: 13-(3,4-dimethyl-5-propylfuran-2-yl)tridecanoic acid methyl ester; 13-(3,4-Dimethyl-5-propyl-2-furyl)tridecanoic acid methyl ester; 15,16-Dimethyl-14,17-epoxyeicosa-14,16-dienoic acid methyl ester; 14,17-Epoxy-15,16-dimethyleicosa-14,16-dienoic acid methyl ester
Formula: C22H38O3
Molar mass: 350.540 Da
SMILES: CCCc1oc(CCCCCCCCCCCCC(O)=O)c(C)c1C
InChI Key: IGZNOKSSNQTWMY-UHFFFAOYSA-N
InChI: 1S/C22H38O3/c1-4-15-20-18(2)19(3)21(25-20)16-13-11-9-7-5-6-8-10-12-14-17-22(23)24/h4-17H2,1-3H3,(H,23,24)
Lipid Maps code: LMFA01150019
|
Data are acquired on Agilent 5972, 5973 and 5975 instruments at Nofima, Institute of Marine Research and University of Bergen. Molecular structures are created in Open Babel. |